SCHEMBL5165299

SCHEMBL5165299

C[C@@](N)(CCc1ccc(OCCCc2ccccc2)s1)COC(=O)C(O)C(O)C(=O)OC[C@](C)(N)CCc1ccc(OCCCc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
FFAR1 O14842 3/20 0.37
S1PR4 O95977 4/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR5 Q9H228 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL5165267 0.85 LMNA (0.37) LMNAFFAR1S1PR4S1PR1S1PR3
SCHEMBL5166384 0.82 IDO1 (0.39) LMNAFFAR1S1PR4S1PR1S1PR3
Cadaverine Tartrate SCHEMBL5168149 0.74 LTA4H (0.39) LMNAFFAR1PPARG
SCHEMBL5168152 0.70 LMNA (0.39) LMNAFFAR1ADRB2ADRB1ADRB3
SCHEMBL13516963 0.69 LMNA (0.66) LMNAFFAR1MEN1POLBKMT2A
SCHEMBL383977 0.69 POLB (0.41) LMNAPOLBRECQLALDH1A1TDP1
SCHEMBL1362980 0.69 S1PR1 (0.52) S1PR4S1PR1S1PR3S1PR5
SCHEMBL9305620 0.69 LMNA (0.53) LMNAS1PR4S1PR1S1PR3S1PR5
SCHEMBL6303022 0.69 AKR1B10 (0.38) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL385619 0.68 S1PR1 (0.54) S1PR4S1PR1S1PR3S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A LMNA 3703/4885FFAR1 246/4885S1PR4 2494/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A LMNA 3703/4885FFAR1 246/4885S1PR4 2494/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.